BDBM51979 3-(4-tert-butylphenyl)-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione::3-(4-tert-butylphenyl)-4-(3-morpholinopropyl)-1H-1,2,4-triazole-5-thione::3-(4-tert-butylphenyl)-4-[3-(4-morpholinyl)propyl]-1H-1,2,4-triazole-5-thione::5-(4-tert-butylphenyl)-4-[3-(4-morpholinyl)propyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione::MLS000666451::SMR000294279::cid_2208886

SMILES CC(C)(C)c1ccc(cc1)-c1n[nH]c(=S)n1CCCN1CCOCC1

InChI Key InChIKey=ABQIAURGKYAINF-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 51979   

TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51979(3-(4-tert-butylphenyl)-4-(3-morpholin-4-ylpropyl)-...)
Affinity DataIC50:  3.41E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51979(3-(4-tert-butylphenyl)-4-(3-morpholin-4-ylpropyl)-...)
Affinity DataIC50:  5.96E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51979(3-(4-tert-butylphenyl)-4-(3-morpholin-4-ylpropyl)-...)
Affinity DataIC50:  6.73E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51979(3-(4-tert-butylphenyl)-4-(3-morpholin-4-ylpropyl)-...)
Affinity DataIC50:  5.96E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay